Compound Detail
CHEMBL68099
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Basic Information
| ChEMBL ID | CHEMBL68099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTXKRDCBIXHBQO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.3
MW (Da)
3.83
ALogP
4
HBA
2
HBD
87.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 12900.0 | nM | 4.89 | Compound potency to achieve protection of MT-4 cells from HIV-1 cytopathicity | 11527703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527703 | 10.1016/s0960-894x(01)00410-3 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine